SCHEMBL29883200

SCHEMBL29883200

C1=CCCCC(C(c2ccccc2)c2ccccc2)CCCCCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CHRM2 P08172 2/20 0.43
CHRM4 P08173 2/20 0.43
CHRM5 P08912 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
EPHX1 P07099 2/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
MAPT P10636 1/20 0.38
HTR1E P28566 1/20 0.38
S1PR3 Q99500 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1248051 0.88 IDO1 (0.57) IDO1GAAL3MBTL1CHRM2CHRM4
SCHEMBL6650399 0.86 GAA (0.55) IDO1GAAL3MBTL1CHRM2CHRM4
SCHEMBL15873681 0.82 GAA (0.50) IDO1GAAL3MBTL1CHRM2CHRM4
SCHEMBL8674414 0.77 IDO1 (0.52) IDO1GAAL3MBTL1
SCHEMBL677532 0.77 IDO1 (0.52) IDO1GAAL3MBTL1
SCHEMBL10779906 0.74 SIGMAR1 (0.48) IDO1GAAL3MBTL1EPHX1MEN1
SCHEMBL14365763 0.74 IDO1 (0.41) IDO1GAAL3MBTL1CHRM2CHRM4
SCHEMBL29054020 0.72 GAA (0.55) IDO1GAAL3MBTL1CHRM2CHRM4
SCHEMBL27821886 0.72 GAA (0.55) IDO1GAAL3MBTL1CHRM2CHRM4
SCHEMBL4603729 0.72 GAA (0.55) IDO1GAAL3MBTL1CHRM2CHRM4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114958960-A Drug screening method of targeted histone deacetylase SIRT6 regulator 河南省人民医院 2022-08-30 CN disclosed